LAMMPS (27 Nov 2018)
  using 1 OpenMP thread(s) per MPI task

units		lj
atom_style  charge

read_data data.cloud_wall
  orthogonal box = (0 0 0) to (10 10 10)
  1 by 1 by 1 MPI processor grid
  reading atoms ...
  300 atoms

velocity	all set 0.0 0.0 0.0 mom no

pair_style	zero 1.0
pair_coeff	* *

neighbor	1.0 bin
neigh_modify	delay 0

fix     1 all nve
kspace_style scafacos p2nfft  0.001
kspace_modify scafacos tolerance field

timestep	0.005

thermo_style custom step atoms cpu temp pe ke etotal ecoul press

run_style verlet

#dump simple all custom 1000 id x y z vx vy vz
#dump dmp    all custom 1000 part.dump id mol x y z vx vy vz fx fy fz q mass
#dump dmpvtk all vtk 1000 vtk/part_*.vtk id mol x y z vx vy vz fx fy fz q mass
#dump_modify dmpvtk pad 7

thermo 10
run	100
Setting up ScaFaCoS with solver p2nfft ...
Neighbor list info ...
  update every 1 steps, delay 0 steps, check yes
  max neighbors/atom: 2000, page size: 100000
  master list distance cutoff = 2
  ghost atom cutoff = 2
  binsize = 1, bins = 10 10 10
  1 neighbor lists, perpetual/occasional/extra = 1 0 0
  (1) pair zero, perpetual
      attributes: half, newton on
      pair build: half/bin/atomonly/newton
      stencil: half/bin/3d/newton
      bin: standard
Per MPI rank memory allocation (min/avg/max) = 3.34 | 3.34 | 3.34 Mbytes
Step Atoms CPU Temp PotEng KinEng TotEng E_coul Press 
       0      300            0            0   0.49683273            0   0.49683273            0  0.016561091 
      10      300  0.028267145  0.015479312   0.47369009  0.023141571   0.49683166            0  0.020417984 
      20      300  0.056742668  0.062386358   0.40356181  0.093267605   0.49682941            0  0.032105581 
      30      300  0.085426331   0.14331637    0.2825636   0.21425798   0.49682157            0  0.052270382 
      40      300   0.11415625   0.53041843  0.089505208   0.79297556   0.88248077            0   0.16157862 
      50      300   0.14363861    1.1948397 -0.083317439    1.7862853    1.7029679            0   0.35447982 
      60      300   0.17313194    1.3915614  -0.37745551    2.0803842    1.7029287            0   0.40349499 
      70      300   0.20299363    1.7061978  -0.84746071    2.5507657     1.703305            0   0.48190445 
      80      300   0.23256087    20.692093     -3.32971     30.93468     27.60497            0    6.0759456 
      90      300   0.26286936    48.999403   -2.1632167    73.254107    71.090891            0    14.578714 
     100      300   0.29372239    51.199785  -0.81127924    76.543678    75.732399            0    15.281693 
Loop time of 0.293738 on 1 procs for 100 steps with 300 atoms

Performance: 147070.013 tau/day, 340.440 timesteps/s
99.8% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 4.3869e-05 | 4.3869e-05 | 4.3869e-05 |   0.0 |  0.01
Kspace  | 0.29081    | 0.29081    | 0.29081    |   0.0 | 99.00
Neigh   | 0.0019989  | 0.0019989  | 0.0019989  |   0.0 |  0.68
Comm    | 0.0003159  | 0.0003159  | 0.0003159  |   0.0 |  0.11
Output  | 0.00016809 | 0.00016809 | 0.00016809 |   0.0 |  0.06
Modify  | 0.00021863 | 0.00021863 | 0.00021863 |   0.0 |  0.07
Other   |            | 0.0001831  |            |       |  0.06

Nlocal:    300 ave 300 max 300 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:    381 ave 381 max 381 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:    2461 ave 2461 max 2461 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 2461
Ave neighs/atom = 8.20333
Neighbor list builds = 15
Dangerous builds = 0
Total wall time: 0:00:00
